KEGG   DRUG: Gadoversetamide
Entry
D01646                      Drug                                   
Name
Gadoversetamide (JAN/USP/INN);
Optimark (TN)
Formula
C20H34N5O10. Gd
Exact mass
662.1547
Mol weight
661.7615
Structure
Simcomp
Remark
ATC code: V08CA06
Efficacy
Diagnostic aid (paramagnetic, brain disorders, spine disorders)
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 V VARIOUS
  V08 CONTRAST MEDIA
   V08C MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
    V08CA Paramagnetic contrast media
     V08CA06 Gadoversetamide
      D01646  Gadoversetamide (JAN/USP/INN)
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D01646
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D01646
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D01646
Other DBs
CAS: 131069-91-5
PubChem: 7848709
ChEBI: 31644
LigandBox: D01646
KCF data

ATOM        36
            1   N1b N    17.5913  -16.2598
            2   C5a C    18.8024  -15.5587
            3   C1b C    20.0135  -16.2527
            4   N1c N    21.2246  -15.5515
            5   C1b C    22.4357  -16.2455
            6   C1b C    23.6468  -15.5444
            7   N1c N    24.8579  -16.2386
            8   C1b C    26.0689  -15.5374
            9   C1b C    27.2800  -16.2314
            10  N1c N    28.4911  -15.5303
            11  C1b C    29.7022  -16.2243
            12  C5a C    30.9133  -15.5231
            13  N1b N    32.1244  -16.2173
            14  O5a O    18.7993  -14.1563
            15  O5a O    30.9103  -14.1208
            16  C1b C    24.8610  -17.6409
            17  C6a C    23.6480  -18.3446
            18  O6a O    23.6512  -19.7470 #-
            19  O6a O    22.4321  -17.6462
            20  C1b C    21.2215  -14.1492
            21  C6a C    22.4345  -13.4453
            22  O6a O    22.4313  -12.0430 #-
            23  O6a O    23.6504  -14.1439
            24  C1b C    28.4881  -14.1279
            25  C6a C    27.2720  -13.4295
            26  O6a O    27.2690  -12.0272 #-
            27  O6a O    26.0592  -14.1332
            28  C1b C    33.3355  -15.5160
            29  C1b C    34.5467  -16.2172
            30  O2a O    35.7578  -15.5160
            31  C1a C    36.9689  -16.2172
            32  C1b C    16.3802  -15.5585
            33  C1b C    15.1691  -16.2597
            34  O2a O    13.9580  -15.5585
            35  C1a C    12.7469  -16.2597
            36  Z   Gd   24.5039  -12.3078 #3+
BOND        34
            1    12  13 1
            2     2  14 2
            3     5   6 1
            4    12  15 2
            5     1   2 1
            6     7  16 1
            7     6   7 1
            8    16  17 1
            9    17  18 1
            10    7   8 1
            11   17  19 2
            12    2   3 1
            13    4  20 1
            14    8   9 1
            15   20  21 1
            16   21  22 1
            17    9  10 1
            18   21  23 2
            19    3   4 1
            20   13  28 1
            21   28  29 1
            22   10  24 1
            23   29  30 1
            24   10  11 1
            25   30  31 1
            26   24  25 1
            27    1  32 1
            28   25  26 1
            29   32  33 1
            30   11  12 1
            31   33  34 1
            32   25  27 2
            33   34  35 1
            34    4   5 1

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Ontology (4)   
   KEGG BRITE (4)   
Drug (2)   
   LigandBox (1)   
   SIDER (1)   
Chemical substance (4)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   HSDB (1)   
All databases (10)   

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